UCSF

ZINC02465154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.34 1.61 -22.04 3 7 0 112 349.343 4
Hi High (pH 8-9.5) 1.25 0.55 -48.68 2 7 -1 115 348.335 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )